Integrating computation and visualization to enhance learning IR spectroscopy in the general chemistry laboratory: Computer-assisted learning of IR spectroscopy

摘要

An exercise to compute and visualize the IR spectra of small organic molecules was incorporated into a general chemistry laboratory module on the synthesis of aspirin. The effectiveness of the computation- visualization component was measured by pre- and postquizzes, a survey, and correct interpretation of experimental IR spectra. The assessment results showed that the students' conceptual understanding of IR spectroscopy was enhanced and that their ability to interpret IR spectra improved. Students learned the basics of the Scigress Explorer software package, gained invaluable introductory skills in molecular modeling and computational chemistry, and enjoyed the experience.